EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43533 - 1,5,5-trimethylpyrrolidin-2-one

ChEBI IDCHEBI:43533
ChEBI Name1,5,5-trimethylpyrrolidin-2-one
Stars
DefinitionA member of the class of pyrrolidine-2-ones that is pyrrolidine-2-one in which the hydrogen attached to the nitrogen and both of the hydrogens at position 5 are replaced by methyl groups.
Secondary ChEBI IDsCHEBI:36593, CHEBI:43530
Last Modified20 November 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H13NO
Net Charge0
Average Mass127.187
Monoisotopic Mass127.09971
SMILESCN1C(=O)CCC1(C)C
InChIInChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3
InChIKeyYARDEGUIPATLSG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1,5,5-trimethylpyrrolidin-2-one (CHEBI:43533) is a N-alkylpyrrolidine (CHEBI:46775)
1,5,5-trimethylpyrrolidin-2-one (CHEBI:43533) is a pyrrolidin-2-ones (CHEBI:74223)
IUPAC Name 
1,5,5-trimethylpyrrolidin-2-one
Synonym  Source
1-METHYL-2-OXY-5,5-DIMETHYL PYRROLIDINEPDBeChem
Manual XrefsDatabases
DB03968DrugBank
Registry NumbersSources
Beilstein:109346Beilstein
Reaxys:109346Reaxys